2009
DOI: 10.1103/physrevb.80.125421
|View full text |Cite
|
Sign up to set email alerts
|

Functionalized adamantane: Building blocks for nanostructure self-assembly

Abstract: We report first principles calculations on the electronic and structural properties of chemically functionalized adamantane molecules, either in isolated or crystalline forms. Boron and nitrogen functionalized molecules, aza-, tetra-aza-, bora-, and tetra-bora-adamantane, were found to be very stable in terms of energetics, consistent with available experimental data. Additionally, a hypothetical molecular crystal in a zincblende structure, involving the pair tetra-bora-adamantane and tetra-aza-adamantane, was… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
1

Citation Types

3
39
0

Year Published

2010
2010
2021
2021

Publication Types

Select...
9
1

Relationship

0
10

Authors

Journals

citations
Cited by 46 publications
(42 citation statements)
references
References 29 publications
3
39
0
Order By: Relevance
“…These properties, such as shape dependent optical absorption, 14 ultraviolet photoluminescence, 15 or negative electron affinity ͑NEA͒, 17 reveal the great prospects that diamondoids bear for technological use 19 and foster the growing interest in diamondoids as building blocks for nanotechnology. 26,27 Most notably, thiolated higher diamondoids have been prepared. 20 A variety of diamondoids with different functional groups are now available [21][22][23][24] and further ways to modify diamondoid properties have recently been realized 25 or proposed.…”
Section: Introductionmentioning
confidence: 99%
“…These properties, such as shape dependent optical absorption, 14 ultraviolet photoluminescence, 15 or negative electron affinity ͑NEA͒, 17 reveal the great prospects that diamondoids bear for technological use 19 and foster the growing interest in diamondoids as building blocks for nanotechnology. 26,27 Most notably, thiolated higher diamondoids have been prepared. 20 A variety of diamondoids with different functional groups are now available [21][22][23][24] and further ways to modify diamondoid properties have recently been realized 25 or proposed.…”
Section: Introductionmentioning
confidence: 99%
“…Size-and shape-selected neutral diamondoids in the gas phase are optimal model systems for theory, especially for the study of quantum confinement effects. [20][21][22][23][24][25] In particular, doped or surface-modified diamondoids [2][3][4][5][6] as well as diamondoid dimers or trimers are extremely attractive as nanoscale building blocks for applications. Another interesting feature is the photoluminescence of diamondoids.…”
Section: Introductionmentioning
confidence: 99%
“…In addition, the KIE values for the reaction of 1 with traditional electrophiles and oxidants are very characteristic and also involve many examples [36,40]. Concerning practical aspects the biotransformation of 1 is an appropriate model reaction due its availability from Nature [55] or synthetically [56] and wide use of adamantane derivatives as pharmaceuticals [57][58][59][60], polymeric [61], and electronic [62][63][64] materials. We, thus, selected 1 as a model compound for oxidation by surface and submerged cultures of basidiomycetes.…”
Section: Introductionmentioning
confidence: 99%